Information card for entry 4337122

Structure parameters

• Formula: C9 H10 B Be I N6
• Calculated formula: C9 H10 B Be I N6
• SMILES: I[Be]12[n]3cccn3[BH](n3[n]1ccc3)n1ccc[n]21
• Title of publication: Synthesis and Characterization of Heteroleptic 1-Tris(pyrazolyl)borate Beryllium Complexes.
• Authors of publication: Naglav, Dominik; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 1241 - 1249
• a: 12.7981 ± 0.0011 Å
• b: 14.2608 ± 0.0013 Å
• c: 14.5214 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2650.3 ± 0.4 ų
• Cell temperature: 180 ± 1 K
• Ambient diffraction temperature: 180 ± 1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No